4,7-Dimethyl-5-decyne-4,7-diol 4,7-Dimethyl-5-decyn-4,7-diol
Structural formula
| Business number | 03KE |
|---|---|
| Molecular formula | C12H22O2 |
| Molecular weight | 198.31 |
| label |
aliphatic compounds |
Numbering system
CAS number:126-87-4
MDL number:None
EINECS number:None
RTECS number:None
BRN number:None
PubChem ID:None
Physical property data
None
Toxicological data
None
Ecological data
None
Molecular structure data
5. Molecular property data:
1. Molar refractive index: 58.64
2. Molar volume (m3/mol）：205.0
3. Isotonic specific volume (90.2K): 511.3
4. Surface Tension (dyne/cm):38.6
5. Polarizability（10-24cm3):23.25
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 1.9
2. Number of hydrogen bond donors: 2
3. Number of hydrogen bond acceptors: 2
4. Number of rotatable chemical bonds: 6
5. Number of tautomers: none
6. Topological molecule polar surface area 40.5
7. Number of heavy atoms: 14
8. Surface charge: 0
9. Complexity: 213
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 0
12. Uncertain number of atomic stereocenters: 2
13. Determine the number of chemical bond stereocenters: 0
14. Number of uncertain chemical bond stereocenters: 0
15. Number of covalent bond units: 1
Properties and stability
None
Storage method
None
Synthesis method
None
Purpose
None